SCHEMBL3703254

SCHEMBL3703254

Clc1nc(N2CCc3ccccc3C2)c2occc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 6/20 0.42
GRIN3B O60391 6/20 0.42
GRIN1 Q05586 6/20 0.42
GRIN2A Q12879 6/20 0.42
GRIN2B Q13224 6/20 0.42
GRIN2C Q14957 6/20 0.42
GRIN3A Q8TCU5 6/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPT P10636 3/20 0.42
HTT P42858 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 2/20 0.42
PLA2G1B P04054 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
GBA1 P04062 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3641040 0.81 GBA1 (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL25530661 0.78 ALDH1A1 (0.43) KDM4EMAPTKMT2AALDH1A1MEN1
SCHEMBL7960352 0.78 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL189922 0.75 SMN1; SMN2 (0.49) KDM4EMAPTKMT2AALDH1A1MEN1
SCHEMBL1709783 0.74 HTR2C (0.44) MAPTKMT2AMEN1
SCHEMBL6966650 0.73 CHRM3 (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10269235 0.72 PAK4 (0.43) KMT2AMEN1SMN1; SMN2
SCHEMBL3711359 0.72 PIK3CA (0.37) KDM4EHTTKMT2AALDH1A1MEN1
SCHEMBL30919864 0.71 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3714145 0.71 CETP (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551981-B2 Furo[3,2-d]pyrimidine compounds ABBVIE INC. (US) 2013-10-08 US disclosed
US-20120122846-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-05-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120122846-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS CDK2, DPYD, CDK3 GRIN2D 1787/4885GRIN3B 2073/4885GRIN1 2225/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.